N-phenyl-N-[1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide

Base Information

• Chemical Name: N-phenyl-N-[1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide
• CAS No.: 82208-84-2
• Molecular Formula: C25H32 N2 O
• Molecular Weight: 376.53
• ChEMBL ID: CHEMBL4763770
• DSSTox Substance ID: DTXSID301002557
• Mol file: 82208-84-2.mol

Synonyms:3-allylfentanyl;3-allylfentanyl monohydrochloride, (cis)-isomer

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Chemical Property of N-phenyl-N-[1-(2-phenylethyl)-3-prop-2-enylpiperidin-4-yl]propanamide

Chemical Property:

• Vapor Pressure: 6.16E-10mmHg at 25°C
• Boiling Point: 494.9°C at 760 mmHg
• PKA: 9.05±0.20(Predicted)
• Flash Point: 189.8°C
• PSA: 23.55000
• Density: 1.050±0.06 g/cm3(Predicted)
• LogP: 4.87680
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 8
• Exact Mass: 376.251463648
• Heavy Atom Count: 28
• Complexity: 479

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(=O)N(C1CCN(CC1CC=C)CCC2=CC=CC=C2)C3=CC=CC=C3